HTS2204-06365883
41 43 0 0 0 0 0 0 0 0999 V2000
2.0939 -1.7437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6674 -1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2037 0.1465 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0939 -3.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6674 -3.7072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2143 -2.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5205 -3.7072 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5205 -1.2801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4021 -2.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2597 1.5730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6305 0.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2228 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6577 3.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 1.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1905 3.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6614 2.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1979 1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7143 -2.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7306 0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9022 -2.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1212 5.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1287 2.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4643 -3.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1418 2.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7890 3.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5994 0.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2781 -2.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6101 -1.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5452 0.1997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0064 -1.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5022 -2.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0064 -3.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7154 4.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3066 5.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5914 5.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3534 2.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7156 2.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1078 3.4201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0047 -4.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7643 -4.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0281 -3.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0 0
3 2 1 0 0 0 0
4 1 1 0 0 0 0
5 4 2 0 0 0 0
6 2 2 0 0 0 0
7 4 1 0 0 0 0
8 1 1 0 0 0 0
9 8 2 0 0 0 0
10 3 1 0 0 0 0
11 3 2 0 0 0 0
12 3 2 0 0 0 0
13 15 1 0 0 0 0
14 10 1 0 0 0 0
15 14 2 0 0 0 0
16 17 1 0 0 0 0
17 19 2 0 0 0 0
18 6 1 0 0 0 0
19 14 1 0 0 0 0
20 9 1 0 0 0 0
21 13 1 0 0 0 0
22 16 1 0 0 0 0
23 18 1 0 0 0 0
7 9 1 0 0 0 0
5 6 1 0 0 0 0
13 16 2 0 0 0 0
10 24 1 0 0 0 0
15 25 1 0 0 0 0
17 26 1 0 0 0 0
18 27 1 0 0 0 0
18 28 1 0 0 0 0
19 29 1 0 0 0 0
20 30 1 0 0 0 0
20 31 1 0 0 0 0
20 32 1 0 0 0 0
21 33 1 0 0 0 0
21 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
22 37 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
M END
>
HTS2204-06365883-01
>
Namiki2204
>
NS-024150465-0000
>
C15H18N4O2S2
>
350.465
>
0
>
1
>
4
>
0
>
76.3600
>
-8.7523
>
-1.3916
>
-2.328
>
1.671
>
-5.228
>
CCc2nc3sc(nn3c2S(Nc1ccc(c(c1)C)C)(=O)=O)C
>
KSH2210-02283743
>
53152073
$$$$